CID 3042857

60644-97-5

Structural Information

Molecular Formula
C25H32N2O2
SMILES
CCC(=O)C1(CCN(CC1)CCC2=CC=CC=C2)N(C3=CC=CC=C3)C(=O)CC
InChI
InChI=1S/C25H32N2O2/c1-3-23(28)25(27(24(29)4-2)22-13-9-6-10-14-22)16-19-26(20-17-25)18-15-21-11-7-5-8-12-21/h5-14H,3-4,15-20H2,1-2H3
InChIKey
MEFSUFUXHLHDHA-UHFFFAOYSA-N
Compound name
N-phenyl-N-[1-(2-phenylethyl)-4-propanoylpiperidin-4-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

392.24637 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.25365 199.3
[M+Na]+ 415.23559 210.7
[M+NH4]+ 410.28019 207.4
[M+K]+ 431.20953 200.8
[M-H]- 391.23909 205.0
[M+Na-2H]- 413.22104 208.6
[M]+ 392.24582 202.6
[M]- 392.24692 202.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe